TL;DR: 2-Chloro-4-ethyl-6-phenyl-1,3,5-triazine (CAS 13704-97-7) is a chemical compound with molecular formula C11H10ClN3 and molecular weight 219.05632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-ethyl-6-phenyl-1,3,5-triazine
Also Known As: 2-chloro-4-ethyl-6-phenyl-1,3,5-triazine, 2-chloro-4-ethyl-6-phenyl-[1,3,5]triazine, 2-CHLORO-4-ETHYL-6-PHENYL-S-TRIAZINE, J1.556.341I
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H10ClN3 |
| Molecular Weight | 219.05632 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05632 Da |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
| SMILES | CCC1=NC(=NC(=N1)Cl)C2=CC=CC=C2 |
| InChIKey | UPVKICPNUOSADG-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-Chloro-4-ethyl-6-phenyl-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Chloro-4-ethyl-6-phenyl-1,3,5-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-ethyl-6-phenyl-1,3,5-triazine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Chloro-4-ethyl-6-phenyl-1,3,5-triazine is 13704-97-7.
The molecular formula of 2-Chloro-4-ethyl-6-phenyl-1,3,5-triazine is C11H10ClN3.
The molecular weight of 2-Chloro-4-ethyl-6-phenyl-1,3,5-triazine is 219.05632 g/mol.
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